FAC CIENCIAS

2015

1. 3-(Pyridin-2-yl)imidazo[1,5-a]pyridine (Pyridylindolizine) as Ligand in Complexes of Transition and Main-Group Metals

   European Journal of Inorganic Chemistry, Vol. 2015, Núm. 29, pp. 4921-4934

2. 7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes

   Organic and Biomolecular Chemistry, Vol. 13, Núm. 34, pp. 9118-9126

3. A DFT approach to the charge transport related properties in columnar stacked π-conjugated N-heterocycle cores including electron donor and acceptor units

   Physical Chemistry Chemical Physics, Vol. 17, Núm. 1, pp. 605-618

4. A Second-Order Method for the Numerical Integration of a Size-Structured Cell Population Model

   Abstract and Applied Analysis, Vol. 2015

5. A density functional theory insight towards the rational design of ionic liquids for SO2 capture

   Physical Chemistry Chemical Physics, Vol. 17, Núm. 20, pp. 13559-13574

6. A detailed analysis of the energy levels configuration existing in the band gap of supersaturated silicon with titanium for photovoltaic applications

   Journal of Applied Physics, Vol. 118, Núm. 24

7. A detailed approach for the classification and statistical analysis of irradiation induced defects

   Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, Vol. 352, pp. 156-159

8. A detailed study of cholinium chloride and levulinic acid deep eutectic solvent system for CO2capture via experimental and molecular simulation approaches

   Physical Chemistry Chemical Physics, Vol. 17, Núm. 32, pp. 20941-20960

9. A generalized interaction in noncommutative space: Both relativistic and nonrelativistic fields

   European Physical Journal Plus, Vol. 130, Núm. 10

10. A morpholinium ionic liquid for cellulose dissolution

    Carbohydrate Polymers, Vol. 130, pp. 18-25

11. A new magnetic superatom: Cr@Zn17

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 42, pp. 28033-28043

12. A theoretical study on mitigation of CO2 through advanced deep eutectic solvents

    International Journal of Greenhouse Gas Control, Vol. 39, pp. 62-73

13. AUTOFIT, an automated fitting tool for broadband rotational spectra, and applications to 1-hexanal

    Journal of Molecular Spectroscopy, Vol. 312, pp. 13-21

14. Ab initio study of the structure and dynamics of bulk liquid Fe

    Physical Review B - Condensed Matter and Materials Physics, Vol. 92, Núm. 13

15. Absorbing boundary conditions and geometric integration: A case study for the wave equation

    Mathematics and Computers in Simulation, Vol. 111, pp. 1-16

16. Accurate equilibrium structures for piperidine and cyclohexane

    Journal of Physical Chemistry A, Vol. 119, Núm. 9, pp. 1486-1493

17. Accurate spectroscopy of polycyclic aromatic compounds: From the rotational spectrum of fluoren-9-one in the millimeter wave region to its infrared spectrum

    Journal of Chemical Physics, Vol. 142, Núm. 2

18. Acrylic acid (CH 2CHCOOH): The rotational spectrum in the millimetre range up to 397 GHz

    Molecular Physics, Vol. 113, Núm. 15-16, pp. 2290-2295

19. Adsorption of choline benzoate ionic liquid on graphene, silicene, germanene and boron-nitride nanosheets: a DFT perspective

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 25, pp. 16315-16326

20. Advances in the design of co-poly(ether-imide) membranes for CO2 separations. Influence of aromatic rigidity on crystallinity, phase segregation and gas transport

    European Polymer Journal, Vol. 62, pp. 130-138